pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.77	AttenGpKa training set	2	1	Cc1n[nH+][nH+]n1-c1cccc([N+](=O)[O-])c1,Cc1[nH+]n[nH+]n1-c1cccc([N+](=O)[O-])c1,Cc1[nH+][nH+]nn1-c1cccc([N+](=O)[O-])c1	Cc1nn[nH+]n1-c1cccc([N+](=O)[O-])c1,Cc1[nH+]nnn1-c1cccc([N+](=O)[O-])c1,Cc1n[nH+]nn1-c1cccc([N+](=O)[O-])c1	mol25515	Cc1nnnn1-c1cccc([N+](=O)[O-])c1